Geometry & MOs

Info

ID:

442237

PubChem CID:

135250750

Reduced:

N11C58H61 (1)

Stoich.:

A11B58C61 (1)

Weight, g/mol:

650.206857

ΔHf, kcal/mol:

231.47

Dipole, Da:

4.86

IP(EA), eV:

 -8.6(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[2,6-bis[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)pyridin-2-yl]pyrimidin-4-yl]pyridin-2-yl]-4,4-dimethyl-5H-1,3-thiazole

Drug info:

PubChemData

Smile

CC1(C(N(C(=N1)C2=CN=C(C=C2)C3=CC(=NC(=N3)C4=NC=C(C=C4)C5=NC(C(N5C6=CC=CC=C6)(C)C)(C)C)C7=NC=C(C=C7)C8=NC(C(N8C9=CC=CC=C9)(C)C)(C)C)C1=CC=CC=C1)(C)C)C

DOS

IR

Vibrations